(6-bromanyl-1,3-benzodioxol-5-yl)methyl 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C19H15BrN2O5 MolecularWeight: 431.2368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)OCC2=CC3=C(C=C2Br)OCO3)C4=CC=CC=C4

Isomeric SMILES

COC1=CN(N=C1C(=O)OCC2=CC3=C(C=C2Br)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C19H15BrN2O5/c1-24-17-9-22(13-5-3-2-4-6-13)21-18(17)19(23)25-10-12-7-15-16(8-14(12)20)27-11-26-15/h2-9H,10-11H2,1H3